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What is the chemical structure of [ (1S, 3R, 4R) -3-Bromo-7, 7-Dimethyl-2-Oxobicyclo [2.2.1] Hept-1-Yl] Methanesulfonate?
(1S, 3R, 4R) -3-bromo-7,7-dimethyl-2-oxobicyclic [2.2.1] heptyl-1-methylsulfonate, which is the name of an organic compound. To know its chemical structure, it should be derived from the naming rules.
"Bicyclic [2.2.1] heptane", indicating that this compound has a bicyclic structure, and the carbon chain between the carbon atoms at the bridge head contains 2, 2 and 1 carbon atoms, respectively, forming a seven-membered bicyclic system. " (1S, 3R, 4R) " is the configuration of chiral carbon atoms, indicating the spatial arrangement of carbon atoms at positions 1, 3 and 4. " 3-Bromo ", that is, there are bromine atoms connected to the carbon atom at the 3rd position;" 7,7-dimethyl ", that is, there are two methyl groups at the carbon atom at the 7th position;" 2-oxo ", that is, the carbon atom at the 2nd position is connected with a carbonyl group;" methanesulfonate ", that is, the carbon atom at the 1st position is connected with methanesulfonate to form a sulfonate structure.
In summary, the chemical structure of this compound is double cyclic [2.2.1] heptane as the parent nucleus, 1-position methanesulfonate ester group, 2-position carbonyl group, 3-position bromo atom, 7-position has two methyl groups, and the configurations of carbon atoms at positions 1, 3, and 4 are S, R, and R.
What are the physical properties of [ (1S, 3R, 4R) -3-Bromo-7, 7-Dimethyl-2-Oxobicyclo [2.2.1] Hept-1-Yl] Methanesulfonate?
(1S, 3R, 4R) -3-bromo-7,7-dimethyl-2-oxobicyclic [2.2.1] heptyl-1-methylsulfonate is an organic compound with unique physical properties.
Its properties are mostly white to off-white crystalline powders. Due to the orderly arrangement of molecules and light scattering, it looks like this. It is stable at room temperature and pressure, and the bicyclic and functional groups in the molecular structure interact, so that the system energy is in a low state. The melting point range of
is about [X] ℃ - [X] ℃. Because the crystal melting needs to overcome the lattice energy, the specific structure corresponds to the specific lattice energy, so the melting point is stable. It is insoluble in water because it is difficult to form an effective interaction between methanesulfonate groups and water molecules, and the hydrophobic bicyclic structure is dominant. However, it can be soluble in common organic solvents, such as dichloromethane, chloroform, etc. Due to the interaction of van der Waals force between solute and solvent molecules, it can achieve good mutual solubility.
The density is about [X] g/cm ³, which reflects the compactness of molecules. The specific structure determines the way and compactness of molecular stacking. It has a certain refractive index, indicating that its refraction characteristics to light are related to the distribution and structure of molecular electron clouds.
What are the synthesis methods of [ (1S, 3R, 4R) -3-Bromo-7, 7-Dimethyl-2-Oxobicyclo [2.2.1] Hept-1-Yl] Methanesulfonate?
The synthesis of (1S, 3R, 4R) -3-bromo-7,7-dimethyl-2-oxobicyclo [2.2.1] heptyl-1-methylsulfonate is an important topic in the field of organic synthesis. To prepare this substance, it can be achieved by a multi-step delicate reaction from the starting material.
The first step is often a dicyclic compound with an appropriate substituent. This starting material, under specific reaction conditions, interacts ingeniously with bromine-containing reagents to precisely introduce the molecule into the bromine atom, and the configuration is precisely controlled to be a specific stereochemical structure of 3-brom- (1S, 3R, 4R). In this step, the reaction temperature, solvent and reagent ratio must be carefully adjusted to ensure that the bromine atom is connected to the molecule according to the desired position and configuration.
In the next step, a methanesulfonate group is introduced. The brominated product is first treated with a suitable base to expose its molecular activity check point, and then meets with methanesulfonate reagents such as methanesulfonic anhydride or methanesulfonyl chloride. This reaction is carried out under mild conditions to ensure the efficient access of methanesulfonate groups to form the methanesulfonate structural part of the target molecule without affecting other existing functional groups.
Another approach can be found to build a dicyclic skeleton as a starting strategy. First, the potential bicyclic structure fragment was prepared, and the bicyclic [2.2.1] heptane skeleton was constructed by cyclization reaction, and then bromine atoms and methanesulfonate groups were introduced in sequence. However, the cyclization reaction is quite difficult, and the reaction conditions need to be fine-tuned, and the separation and purification of intermediate products in each step also need to be carefully operated to obtain high-purity target products (1S, 3R, 4R) - 3 - bromo - 7,7 - dimethyl - 2 - oxobicyclic [2.2.1] heptyl - 1 - methanesulfonate.
[ (1S, 3R, 4R) -3-Bromo-7, 7-Dimethyl-2-Oxobicyclo [2.2.1] Hept-1-Yl] What are the application fields of Methanesulfonate?
(1S, 3R, 4R) -3-bromo-7,7-dimethyl-2-oxobicyclo [2.2.1] heptyl-1-methylsulfonate, this compound has applications in many fields. In the field of pharmaceutical research and development, it can be used as a key intermediate to construct complex drug molecular structures through specific chemical reactions, which can be used to create new drugs for the treatment of specific diseases. In the field of organic synthesis, its structural properties make it an important starting material for the construction of special cyclic compounds. Through ingenious design of reaction routes, organic materials with unique structures and properties can be prepared. In the field of materials science, further reaction modifications can be made to endow materials with unique physical and chemical properties, such as improving material solubility and stability, thereby expanding the application range of materials. It also has important value in the preparation of fine chemical products, and can be used as a key component in the synthesis of fine chemicals with special functions to improve product quality and performance.
[ (1S, 3R, 4R) -3-Bromo-7, 7-Dimethyl-2-Oxobicyclo [2.2.1] Hept-1-Yl] Methanesulfonate What are the precautions during storage and transportation?
[ (1S, 3R, 4R) -3-bromo-7,7-dimethyl-2-oxobicyclic [2.2.1] heptyl-1-yl] methanesulfonate This material, during storage and transportation, there are many important things to pay attention to.
First, it is related to temperature. This compound is quite sensitive to temperature, and high temperature can easily cause its chemical properties to change, or cause decomposition. Therefore, when storing, it should be placed in a cool place, usually at a temperature not exceeding 25 ° C. During transportation, it is also necessary to beware of external high temperature attacks. For example, in hot summer, refrigerated transportation equipment needs to be used to maintain a suitable temperature.
Second, the humidity should not be ignored. Humid environment may make the substance absorb moisture, which in turn affects its purity and stability. The storage place should be kept dry, and the relative humidity should be controlled at 40% - 60%. The means of transportation should also be ensured to be dry to prevent rainwater from soaking in.
Third, this compound has a certain chemical activity and should be avoided from contact with strong oxidants, strong alkalis and other substances. Contact with it is likely to trigger violent chemical reactions, cause deterioration of the substance, and even cause safety accidents. When storing, keep it separate from these dangerous substances. When transporting, do not mix such items with vehicles.
Fourth, the packaging must be firm and well sealed. The packaging is firm to prevent damage to the container due to collision and vibration during transportation. A good seal can avoid contact with air and prevent reactions such as oxidation. Packing with suitable materials, such as corrosion-resistant glass bottles, and filling with inert gas protection can effectively improve its stability.